2-(1-chloroethyl)-5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazole

C9H15ClN4O — CID 106956315

IUPAC2-(1-chloroethyl)-5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazole
SMILESCC(Cl)c1nnc(N2CCN(C)CC2)o1
InChIInChI=1S/C9H15ClN4O/c1-7(10)8-11-12-9(15-8)14-5-3-13(2)4-6-14/h7H,3-6H2,1-2H3
InChIKeyDWOGTIQDDNDJIU-UHFFFAOYSA-N
MW230.70 g/mol
LogP1.12
Rot. Bonds2

About 2-(1-chloroethyl)-5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazole

2-(1-chloroethyl)-5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazole (PubChem CID 106956315) has the molecular formula C9H15ClN4O and a molecular weight of 230.70 g/mol. Its IUPAC name is 2-(1-chloroethyl)-5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-chloroethyl)-5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazole
PubChem CID106956315
Molecular FormulaC9H15ClN4O
Molecular Weight230.70 g/mol
Exact Mass230.09
IUPAC Name2-(1-chloroethyl)-5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazole
SMILESCC(Cl)c1nnc(N2CCN(C)CC2)o1
InChIInChI=1S/C9H15ClN4O/c1-7(10)8-11-12-9(15-8)14-5-3-13(2)4-6-14/h7H,3-6H2,1-2H3
InChIKeyDWOGTIQDDNDJIU-UHFFFAOYSA-N
XLogP1.12
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.70
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-(1-chloroethyl)-5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-(Chloromethyl)-1,3,4-oxadiazol-2-yl]piperidine
CID 106956356
5-(1-chloroethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine
CID 106956882
5-(1-chloroethyl)-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine
CID 106956897
1-[4-(5-Ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one
CID 110603079
4-(5-Ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-amine
CID 118964286
2-Methyl-5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazole
CID 130723409
2-(4-Methylpiperazin-1-yl)-5-propan-2-yl-1,3,4-oxadiazole
CID 145588875
2-Ethyl-5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazole
CID 145588945
1-(5-Ethyl-1,3,4-oxadiazol-2-yl)piperazine hydrochloride
CID 52988216
4-(5-Ethyl-1,3,4-oxadiazol-2-YL)-N,N-dimethylpiperazine-1-carboxamide
CID 72883330
2-(1-Chloroethyl)-5-(2,4-dimethyl-1,4-diazepan-1-yl)-1,3,4-oxadiazole
CID 105593610
2-(2-Chloroethyl)-5-(2,4-dimethylpiperazin-1-yl)-1,3,4-oxadiazole
CID 105593616

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(1-chloroethyl)-5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazole (CID 106956315) is 2-(1-chloroethyl)-5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1-chloroethyl)-5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-chloroethyl)-5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazole is CC(Cl)c1nnc(N2CCN(C)CC2)o1.
What is the InChIKey of 2-(1-chloroethyl)-5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazole?
The InChIKey is DWOGTIQDDNDJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4O/c1-7(10)8-11-12-9(15-8)14-5-3-13(2)4-6-14/h7H,3-6H2,1-2H3.
What are the key properties of 2-(1-chloroethyl)-5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazole?
2-(1-chloroethyl)-5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazole has a molecular weight of 230.70 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 106956315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).